NAV

Imagabalin

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Imagabalin
DrugBank Accession Number
DB12105
Background

Imagabalin has been investigated in Generalized Anxiety Disorder.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 173.256
Monoisotopic: 173.141578856
Chemical Formula
C9H19NO2
Synonyms
  • Imagabalin
External IDs
  • PD 0332334
  • PD-0332334
  • PF-00195889
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action
Not Available
Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism
Not Available
Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
DrugInteraction
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interactions in your software
1,2-BenzodiazepineThe risk or severity of CNS depression can be increased when Imagabalin is combined with 1,2-Benzodiazepine.
AcetazolamideThe risk or severity of CNS depression can be increased when Acetazolamide is combined with Imagabalin.
AcetophenazineThe risk or severity of CNS depression can be increased when Acetophenazine is combined with Imagabalin.
AgomelatineThe risk or severity of CNS depression can be increased when Agomelatine is combined with Imagabalin.
AlfentanilThe risk or severity of CNS depression can be increased when Alfentanil is combined with Imagabalin.
Food Interactions
Not Available

Products

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Product Ingredients
IngredientUNIICASInChI Key
Imagabalin HydrochlorideMJ3F8ZA7Q1610300-00-0CFMZXQJDAJXNHS-WLYNEOFISA-N

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Sub Class
Amino acids, peptides, and analogues
Direct Parent
Beta amino acids and derivatives
Alternative Parents
Medium-chain fatty acids / Branched fatty acids / Amino fatty acids / Amino acids / Monocarboxylic acids and derivatives / Carboxylic acids / Organopnictogen compounds / Organic oxides / Monoalkylamines / Hydrocarbon derivatives
show 1 more
Substituents
Aliphatic acyclic compound / Amine / Amino acid / Amino fatty acid / Beta amino acid or derivatives / Branched fatty acid / Carbonyl group / Carboxylic acid / Fatty acid / Fatty acyl
show 11 more
Molecular Framework
Aliphatic acyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
NDG6931B7H
CAS number
610300-07-7
InChI Key
JXEHXYFSIOYTAH-SFYZADRCSA-N
InChI
InChI=1S/C9H19NO2/c1-3-4-7(2)5-8(10)6-9(11)12/h7-8H,3-6,10H2,1-2H3,(H,11,12)/t7-,8+/m1/s1
IUPAC Name
(3S,5R)-3-amino-5-methyloctanoic acid
SMILES
CCC[C@@H](C)C[C@H](N)CC(O)=O

References

General References
Not Available
PubChem Compound
10236037
PubChem Substance
347828406
ChemSpider
8411525
ChEMBL
CHEMBL2103836
Wikipedia
Imagabalin

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3CompletedTreatmentGeneralized Anxiety Disorder1
3TerminatedTreatmentAnxiety Disorders1
3TerminatedTreatmentGeneralized Anxiety Disorder4
3WithdrawnTreatmentGeneralized Anxiety Disorder1
2CompletedTreatmentGeneralized Anxiety Disorder1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility3.01 mg/mLALOGPS
logP-0.48ALOGPS
logP-0.61Chemaxon
logS-1.8ALOGPS
pKa (Strongest Acidic)4.53Chemaxon
pKa (Strongest Basic)10.54Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area63.32 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity48 m3·mol-1Chemaxon
Polarizability20.09 Å3Chemaxon
Number of Rings0Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-000l-9200000000-0b15f1942daccc4c114e
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-022c-9300000000-cf77f877265ecdfa31f6
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-00di-0900000000-17bbf1529ac81021ce39
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-03mi-5900000000-b1ef1b8a13c33cc8dde8
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0006-9000000000-9bf23aaa5c95fc8c35aa
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-052f-9000000000-16199fef9069130f8c0c
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0006-9000000000-c48e09eed1265d428c20
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-139.81407
predicted
DeepCCS 1.0 (2019)
[M+H]+142.67165
predicted
DeepCCS 1.0 (2019)
[M+Na]+151.2584
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 21:21 / Updated at February 21, 2021 18:53